AG000MJY

1246633-54-4 | Boronic acid, B-[2-fluoro-6-(hydroxymethyl)phenyl]-

AG000MJY

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CAS Number	1246633-54-4
Catalog Number	AG000MJY(AGN-PC-0WA6QJ)
Chemical Name	Boronic acid, B-[2-fluoro-6-(hydroxymethyl)phenyl]-
IUPAC Name	[2-fluoro-6-(hydroxymethyl)phenyl]boronic acid
InChI	InChI=1S/C7H8BFO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,10-12H,4H2
InChI Key	CITKAVQBGQMNCG-UHFFFAOYSA-N
MDL Number	MFCD18383507
Molecular Formula	C7H8BFO3
Molecular Weight	169.9460
SMILES	OCC1=C(B(O)O)C(F)=CC=C1
Synonyms	1246633-54-4, (2-Fluoro-6-(hydroxymethyl)phenyl)boronic acid, 2-FLUORO-6-(HYDROXYMETHYL)PHENYLBORONIC ACID, [2-fluoro-6-(hydroxymethyl)phenyl]boronic acid, ACMC-209asx, CTK8A9569, DTXSID10681743, ANW-18271, MFCD18383507, AKOS015893148, ZINC169746521, FCH1142019, PC412423, AX8230972, TC-107016, ST24020225, Z8823, A-3286, I04-2744, Boronic acid, B-[2-fluoro-6-(hydroxymethyl)phenyl]-, C7H8BFO3, (2-Fluoro-6-(hydroxymethyl)phenyl)boronicacid,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	169.946g/mol
Monoisotopic Mass	170.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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